[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine

C12H17N3OS — CID 113289332

IUPAC[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine
SMILESNCC1(Cc2cn3ccsc3n2)CCOCC1
InChIInChI=1S/C12H17N3OS/c13-9-12(1-4-16-5-2-12)7-10-8-15-3-6-17-11(15)14-10/h3,6,8H,1-2,4-5,7,9,13H2
InChIKeyQCMREYSWSNUOGP-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.69
Rot. Bonds3

About [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine

[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine (PubChem CID 113289332) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine
PubChem CID113289332
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine
SMILESNCC1(Cc2cn3ccsc3n2)CCOCC1
InChIInChI=1S/C12H17N3OS/c13-9-12(1-4-16-5-2-12)7-10-8-15-3-6-17-11(15)14-10/h3,6,8H,1-2,4-5,7,9,13H2
InChIKeyQCMREYSWSNUOGP-UHFFFAOYSA-N
XLogP1.69
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 115334374
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 115334368
[3-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methanamine
CID 115335047
6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115335298
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 115334382
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332722
4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine
CID 112562533
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 115333037
1-(4-ethoxyoxan-4-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 116754112
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-ol
CID 115332763
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 115334326

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine (CID 113289332) is [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine is NCC1(Cc2cn3ccsc3n2)CCOCC1.
What is the InChIKey of [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine?
The InChIKey is QCMREYSWSNUOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-9-12(1-4-16-5-2-12)7-10-8-15-3-6-17-11(15)14-10/h3,6,8H,1-2,4-5,7,9,13H2.
What are the key properties of [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine?
[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine has a molecular weight of 251.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 113289332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).